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BDBM341439 1-(5-(6-chloro-2-fluoropyridin-3-yl)-2-methyl-7,8-dihydro-[1,3,4]thiadiazolo[2',3':2,3]imidazo[4,5-c]pyridin-6(5H)-yl)-2-((2-chloro-6-(dimethylamino)pyridin-3-yl)oxy)ethanone::US9765092, Example 1.16.1

SMILES: CN(C)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)nc2F)c(Cl)n1

InChI Key: InChIKey=UTPYRUIWFOJLCJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 341439   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptophan 5-monooxygenase 1


(Homo sapiens (Human))
BDBM341439
PNG
(1-(5-(6-chloro-2-fluoropyridin-3-yl)-2-methyl-7,8-...)
Show SMILES CN(C)c1ccc(OCC(=O)N2CCc3nc4sc(C)nn4c3C2c2ccc(Cl)nc2F)c(Cl)n1
Show InChI InChI=1S/C22H20Cl2FN7O2S/c1-11-29-32-19-13(26-22(32)35-11)8-9-31(18(19)12-4-6-15(23)27-21(12)25)17(33)10-34-14-5-7-16(30(2)3)28-20(14)24/h4-7,18H,8-10H2,1-3H3
PDB
MMDB

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PC cid
PC sid
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Article
US Patent
n/an/a 5n/an/an/an/an/an/a



ACTELION PHARMACEUTICALS LTD

US Patent


Assay Description
To generate the enzyme, full length human TPH1 is cloned into the plasmid pET20b(+) (Novagen) and expressed in E. coli. The bacterial cells are ruptu...


US Patent US9765092 (2017)


Article DOI: 10.1021/bi060173m
BindingDB Entry DOI: 10.7270/Q21N838B
More data for this
Ligand-Target Pair